CHEMBL29591


SMILES COc1cc2nc(N(C)CCSSCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC
InChIKey NZGMDZHAJYWRGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 477.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Rat Adrenoceptors A pKd 8.54 8.54 8.54 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 7.49 7.49 7.49 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.97 8.97 8.97 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 7.53 7.53 7.53 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.38 9.38 9.38 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.14 9.14 9.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database